CID 10778362

232589-05-8

Structural Information

Molecular Formula
C10H11N3O6
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@](O2)(CO)C#N)O)O
InChI
InChI=1S/C10H11N3O6/c11-3-10(4-14)7(17)6(16)8(19-10)13-2-1-5(15)12-9(13)18/h1-2,6-8,14,16-17H,4H2,(H,12,15,18)/t6-,7+,8-,10-/m1/s1
InChIKey
BOOIQRVKXMDSTM-IBCQBUCCSA-N
Compound name
(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

269.0648 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07208 153.5
[M+Na]+ 292.05402 164.7
[M-H]- 268.05752 153.2
[M+NH4]+ 287.09862 165.4
[M+K]+ 308.02796 161.2
[M+H-H2O]+ 252.06206 140.7
[M+HCOO]- 314.06300 165.8
[M+CH3COO]- 328.07865 197.1
[M+Na-2H]- 290.03947 156.0
[M]+ 269.06425 147.7
[M]- 269.06535 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe